6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide

C12H11ClN4O3S2 — CID 68678265

IUPAC6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CCN(S(=O)(=O)c1ccc(Cl)s1)C2
InChIInChI=1S/C12H11ClN4O3S2/c13-9-1-2-10(21-9)22(19,20)17-4-3-8-7(6-17)5-15-12(16-8)11(14)18/h1-2,5H,3-4,6H2,(H2,14,18)
InChIKeyKCGRJXJJKHVHKU-UHFFFAOYSA-N
MW358.83 g/mol
LogP1.04
Rot. Bonds3

About 6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide

6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide (PubChem CID 68678265) has the molecular formula C12H11ClN4O3S2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide
PubChem CID68678265
Molecular FormulaC12H11ClN4O3S2
Molecular Weight358.83 g/mol
Exact Mass358.00
IUPAC Name6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CCN(S(=O)(=O)c1ccc(Cl)s1)C2
InChIInChI=1S/C12H11ClN4O3S2/c13-9-1-2-10(21-9)22(19,20)17-4-3-8-7(6-17)5-15-12(16-8)11(14)18/h1-2,5H,3-4,6H2,(H2,14,18)
InChIKeyKCGRJXJJKHVHKU-UHFFFAOYSA-N
XLogP1.04
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide (CID 68678265) is 6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide is NC(=O)c1ncc2c(n1)CCN(S(=O)(=O)c1ccc(Cl)s1)C2.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide?
The InChIKey is KCGRJXJJKHVHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3S2/c13-9-1-2-10(21-9)22(19,20)17-4-3-8-7(6-17)5-15-12(16-8)11(14)18/h1-2,5H,3-4,6H2,(H2,14,18).
What are the key properties of 6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide?
6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 68678265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).